Deoxyaconitine

CAS 3175-95-9 MFCD01673511

化学结构图

3175-95-9
SMILES: CCN1C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)[C@@H](O)[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1

化学属性

Mol. FormulaC34H47NO10
Mol. Weight629.82

别名和识别编码

Chemical NameDeoxyaconitine
Synonym 3-Deoxyaconitine Aconitine, deoxy- Deoxyaconitine deoxyaconitine
CAS Number3175-95-9
InChIKeyPHASMOUKYDUAOZ-ZDKSWHTHSA-N
Chemical Name Translation
LabNetwork Molecule IDLN02124167
PubChem Substance ID21598997
InChIInChI=1S/C34H47NO10/c1-7-35-16-31(17-40-3)14-13-21(41-4)33-20-15-32(39)28(44-30(38)19-11-9-8-10-12-19)22(20)34(45-18(2)36,27(37)29(32)43-6)23(26(33)35)24(42-5)25(31)33/h8-12,20-29,37,39H,7,13-17H2,1-6H3/t20-,21+,22-,23+,24+,25-,26?,27+,28-,29+,31+,32-,33+,34-/m1/s1
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安全信息

RTECSAR5569100 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CYLPDN Zhongguo Yaoli Xuebao.  Acta Pharmacologica Sinica.  Chinese Journal
   of Pharmacology.  (China International Book Trading Corp., POB 2820,
   Beijing, Peop. Rep. China)  V.1-    1980-  Volume(issue)/page/year:
   2,170,1981

系列性分类

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